3-hydroxy-1-(2-hydroxy-4,6-dimethoxyphenyl)-2-phenylpropan-1-one

C17H18O5 — CID 13359570

IUPAC3-hydroxy-1-(2-hydroxy-4,6-dimethoxyphenyl)-2-phenylpropan-1-one
SMILESCOc1cc(O)c(C(=O)C(CO)c2ccccc2)c(OC)c1
InChIInChI=1S/C17H18O5/c1-21-12-8-14(19)16(15(9-12)22-2)17(20)13(10-18)11-6-4-3-5-7-11/h3-9,13,18-19H,10H2,1-2H3
InChIKeyQTAYXYIDCPKBRB-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.37
Rot. Bonds6

About 3-hydroxy-1-(2-hydroxy-4,6-dimethoxyphenyl)-2-phenylpropan-1-one

3-hydroxy-1-(2-hydroxy-4,6-dimethoxyphenyl)-2-phenylpropan-1-one (PubChem CID 13359570) has the molecular formula C17H18O5 and a molecular weight of 302.33 g/mol. Its IUPAC name is 3-hydroxy-1-(2-hydroxy-4,6-dimethoxyphenyl)-2-phenylpropan-1-one.

Molecular Properties

Compound Name3-hydroxy-1-(2-hydroxy-4,6-dimethoxyphenyl)-2-phenylpropan-1-one
PubChem CID13359570
Molecular FormulaC17H18O5
Molecular Weight302.33 g/mol
Exact Mass302.12
IUPAC Name3-hydroxy-1-(2-hydroxy-4,6-dimethoxyphenyl)-2-phenylpropan-1-one
SMILESCOc1cc(O)c(C(=O)C(CO)c2ccccc2)c(OC)c1
InChIInChI=1S/C17H18O5/c1-21-12-8-14(19)16(15(9-12)22-2)17(20)13(10-18)11-6-4-3-5-7-11/h3-9,13,18-19H,10H2,1-2H3
InChIKeyQTAYXYIDCPKBRB-UHFFFAOYSA-N
XLogP2.37
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-hydroxy-2-phenylpropanoyl)-3,5-dimethoxybenzoic acid
CID 70042456
1-(2-hydroxy-4,6-dimethoxyphenyl)-2-phenylmethoxyethanone
CID 102233436
(2R,3S)-3-(2-hydroxy-4,6-dimethoxyphenyl)-3-phenylpropane-1,2-diol
CID 23628905
2-(3-hydroxy-1-phenylpropyl)-3,5-dimethoxyphenol
CID 25139966
3-hydroxy-1-(2-hydroxy-4,6-dimethoxyphenyl)propan-1-one
CID 10955251
4-(2-hydroxy-4,6-dimethoxyphenyl)-1-naphthalen-2-ylbutane-1,2,4-trione
CID 101020851
3-hydroxy-1-(2-hydroxyphenyl)-2-phenylpropan-1-one
CID 175475394
1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-hydroxyphenyl)propane-1,3-dione
CID 90718650
3-(2-hydroxy-4-methoxyphenyl)-2-phenylpropanoic acid
CID 22680594
2-phenylsulfanyl-1-(2,4,6-trimethoxyphenyl)ethanone
CID 93191547
2,4-dimethoxy-6-phenylmethoxybenzoic acid
CID 70481203
2-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]-4-methoxybenzamide
CID 103944607

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-(2-hydroxy-4,6-dimethoxyphenyl)-2-phenylpropan-1-one?
The IUPAC name of 3-hydroxy-1-(2-hydroxy-4,6-dimethoxyphenyl)-2-phenylpropan-1-one (CID 13359570) is 3-hydroxy-1-(2-hydroxy-4,6-dimethoxyphenyl)-2-phenylpropan-1-one.
What is the SMILES notation for 3-hydroxy-1-(2-hydroxy-4,6-dimethoxyphenyl)-2-phenylpropan-1-one?
The canonical SMILES for 3-hydroxy-1-(2-hydroxy-4,6-dimethoxyphenyl)-2-phenylpropan-1-one is COc1cc(O)c(C(=O)C(CO)c2ccccc2)c(OC)c1.
What is the InChIKey of 3-hydroxy-1-(2-hydroxy-4,6-dimethoxyphenyl)-2-phenylpropan-1-one?
The InChIKey is QTAYXYIDCPKBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O5/c1-21-12-8-14(19)16(15(9-12)22-2)17(20)13(10-18)11-6-4-3-5-7-11/h3-9,13,18-19H,10H2,1-2H3.
What are the key properties of 3-hydroxy-1-(2-hydroxy-4,6-dimethoxyphenyl)-2-phenylpropan-1-one?
3-hydroxy-1-(2-hydroxy-4,6-dimethoxyphenyl)-2-phenylpropan-1-one has a molecular weight of 302.33 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-(2-hydroxy-4,6-dimethoxyphenyl)-2-phenylpropan-1-one is sourced from PubChem (CID 13359570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).